5-bromo-N-[4-iodo-2-(trifluoromethyl)phenyl]furan-2-carboxamide

C12H6BrF3INO2 — CID 3473060

IUPAC5-bromo-N-[4-iodo-2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(I)cc1C(F)(F)F)c1ccc(Br)o1
InChIInChI=1S/C12H6BrF3INO2/c13-10-4-3-9(20-10)11(19)18-8-2-1-6(17)5-7(8)12(14,15)16/h1-5H,(H,18,19)
InChIKeyXHDMYIVCEHJWKO-UHFFFAOYSA-N
MW459.99 g/mol
LogP4.92
Rot. Bonds2

About 5-bromo-N-[4-iodo-2-(trifluoromethyl)phenyl]furan-2-carboxamide

5-bromo-N-[4-iodo-2-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 3473060) has the molecular formula C12H6BrF3INO2 and a molecular weight of 459.99 g/mol. Its IUPAC name is 5-bromo-N-[4-iodo-2-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-iodo-2-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID3473060
Molecular FormulaC12H6BrF3INO2
Molecular Weight459.99 g/mol
Exact Mass458.86
IUPAC Name5-bromo-N-[4-iodo-2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(I)cc1C(F)(F)F)c1ccc(Br)o1
InChIInChI=1S/C12H6BrF3INO2/c13-10-4-3-9(20-10)11(19)18-8-2-1-6(17)5-7(8)12(14,15)16/h1-5H,(H,18,19)
InChIKeyXHDMYIVCEHJWKO-UHFFFAOYSA-N
XLogP4.92
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.99
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1282971
5-bromo-N-(3-iodophenyl)furan-2-carboxamide
CID 7928389
5-bromo-N-(4-chloro-2-iodophenyl)furan-2-carboxamide
CID 103766854
5-(3-chlorophenyl)-N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 3915278
3-[(5-bromofuran-2-carbonyl)amino]-4-fluorobenzoic acid
CID 60748683
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2119042
N-[4-iodo-2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2977921
5-(3-chloro-4-methylphenyl)-N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 17317037
N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3893261
5-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1288515
5-bromo-2-chloro-N-[[4-iodo-2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 3506644
5-bromo-N-(2-bromo-4-sulfamoylphenyl)furan-2-carboxamide
CID 61128224

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-iodo-2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-iodo-2-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 3473060) is 5-bromo-N-[4-iodo-2-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-iodo-2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-iodo-2-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(I)cc1C(F)(F)F)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[4-iodo-2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is XHDMYIVCEHJWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF3INO2/c13-10-4-3-9(20-10)11(19)18-8-2-1-6(17)5-7(8)12(14,15)16/h1-5H,(H,18,19).
What are the key properties of 5-bromo-N-[4-iodo-2-(trifluoromethyl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-iodo-2-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 459.99 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-iodo-2-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 3473060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).